Compound Detail
CHEMBL18473
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Basic Information
| ChEMBL ID | CHEMBL18473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOPVVMIAMOXBRI-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
1.39
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 6.84 | 6.84 | 145.0 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | Ki | 6.14 | 6.14 | 719.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 145.0 | nM | 6.84 | In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytrypta... | - |
| 5-hydroxytryptamine receptor 4 | Ki | = | 719.0 | nM | 6.14 | In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum memb... | 11597405 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 724.44 | nM | 6.14 | pKi against 5-hydroxytryptamine 4 receptor in rat striatum membrane | 11597405 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 719.0 | nM | 6.14 | Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor | - |
| 5-hydroxytryptamine receptor 4 | Ki | = | 719.0 | nM | 6.14 | Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as radiol... | 12383006 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11597405 | 10.1016/s0960-894x(01)00517-0 | 5-hydroxytryptamine receptor 4 | 2 |
| - | 10.1016/0960-894X(96)00200-4 | Serotonin 3 (5-HT3) receptor | 1 |
| - | 10.1016/0960-894X(96)00200-4 | 5-hydroxytryptamine receptor 4 | 1 |
| 12383006 | 10.1021/jm020807x | 5-hydroxytryptamine receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine